7-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-6729 |
| Compound Name: | 7-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 408.41 |
| Molecular Formula: | C22 H18 F2 N4 O2 |
| Smiles: | Cc1ccc(cc1)N1C(N(CC=C)C(c2c1ncn2Cc1ccc(c(c1)F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4836 |
| logD: | 3.4836 |
| logSw: | -3.526 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.524 |
| InChI Key: | XKJDILJJSVIQGC-UHFFFAOYSA-N |